IPI
Summary
| Name: | 3-methylbutylphosphonic acid |
| Synonyms: | isoamylphosphonic acid |
| Formula: | C5 H13 O3 P |
| Formal charge: | 0 |
| Formula weight: | 152.129 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 3-methylbutylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)CC[P](O)(O)=O |
| SMILES | CACTVS | 3.352 | CC(C)CC[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)CCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)CCP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H13O3P/c1-5(2)3-4-9(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8) |
| InChIKey | InChI | 1.03 | OHMSWSFFCKZMGL-UHFFFAOYSA-N |
